General Information of the Compound
| Compound ID |
CP0549429
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| Compound Name |
1-[4-(4-cyclobutylpiperazin-1-yl)sulfonylphenyl]-3-methoxy-2-methylpyridin-4-one
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| Formula |
C21H27N3O4S
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| Molecular Weight |
417.531
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| Canonical SMILES |
COc1c(C)n(ccc1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C21H27N3O4S/c1-16-21(28-2)20(25)10-11-24(16)18-6-8-19(9-7-18)29(26,27)23-14-12-22(13-15-23)17-4-3-5-17/h6-11,17H,3-5,12-15H2,1-2H3
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| InChIKey |
VHVGTMMYDHCXSR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound